3-(2-amino-6-chlorobenzothiazol-5-yl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

HCID 14280658

Basic information

Standard SMILES
CC(C)(C)c1nn(-c2cc3nc(N)sc3cc2Cl)c(=O)o1
InChIKey
LKGWUTJXERQXCN-UHFFFAOYSA-N
Molecular formula
C13H13ClN4O2S
Average molar mass
324.79 g/mol

Names & identifiers

Preferred name
3-(2-amino-6-chlorobenzothiazol-5-yl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
IUPAC
3-(2-amino-6-chloro-1,3-benzothiazol-5-yl)-5-tert-butyl-1,3,4-oxadiazol-2-one

Names & synonyms

SCHEMBL9378110LKGWUTJXERQXCN-UHFFFAOYSA-N3-(2-amino-6-chloro-benzothiazol -5-yl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one3-(2-amino-6-chlorobenzothiazol-5-yl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

Database identifiers

PubChem CID
14280658

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
109 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
21

Related reactions

3 records

Compound notes

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